Geometry & MOs

Info

ID:	441869
PubChem CID:	135246184
Reduced:	OF2N4H16C24 (1)
Stoich.:	AB2C4D16E24 (1)
Weight, g/mol:	418.155352
ΔH_f, kcal/mol:	63.52
Dipole, Da:	3.95
IP(EA), eV:	-9.12(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-(N-amino-2-fluoroanilino)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridin-4-ylethenamine

Drug info:

PubChemData

Smile

CC1=C(ON=C1C2=CC=CC=C2F)C3=C(N(N=N3)C4=CC=CC=C4F)C5=CC=CC=C5

DOS

IR

Vibrations